Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003132
Inhibitor ClassPyrimidine
Molecule Name in Refrence Article3f compound
IUPAC Name(6S)-6-(2,4-dihydroxyphenyl)-2-({4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}amino)-4-methyl-N-(3-nitrophenyl)-1,6-dihydropyrimidine-5-carboxamide
FormulaC30H28N8O7S
Mass644.658
Exact Mass644.180166
Composition C (55.89%), H (4.38%), N (17.38%), O (17.37%), S (4.97%)
Atom Count74
PI5.91
SmilesC1(=NC(=C([C@@H](N1)c1c(cc(cc1)O)O)C(=O)Nc1cc(ccc1)[N+](=O)[O-])C)Nc1ccc(cc1)S(=O)(=O)Nc1nc(cc(n1)C)C
InChI1S/C30H28N8O7S/c1-16-13-17(2)32-30(31-16)37-46(44,45)23-10-7-19(8-11-23)35-29-33-18(3)26(27(36-29)24
-12-9-22(39)15-25(24)40)28(41)34-20-5-4-6-21(14-20)38(42)43/h4-15,27,39-40H,1-3H3,(H,34,41)(H,31,32,
37)(H2,33,35,36)/t27-/m0/s1
InChIKeyXVNPEUZODCBZID-MHZLTWQESA-N
2D Structure
Structure Backbone
View Structure in JmolClick to view 3 d structure                            Download Mol File
Drug Like PropertyDruglikeliness
Symmetry & GeometrySymmetry And Geometrical Information
Activity & Binding Activity against isoform and covalant binding information
Topological PropertiesDescriptors
Reference20045222
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesCDK9 |
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 24666126
ChEMBL Link CHEMBL1077069
 
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